1331. Coordination chemistry of copper and nickel with xenon difluoride and the hexafluororuthenate(V) anion : synthesis and structural studiesTomaž Mržljak, Evgeny A. Goreshnik, Gašper Tavčar, Melita Tramšek, 2025, original scientific article Abstract: In the photochemical reactions between MF2 (M = Cu, Ni), Ru, and F2 in anhydrous HF, Cu(RuF6)2, and Ni(RuF6)2 are formed. Only crystals of Cu(RuF6)2 are obtained during the crystallization of the powdered products. Cu(RuF6)2 crystallizes in the triclinic space group Pmathematical equation. The Cu atoms are coordinated by six F atoms, which are shared with octahedral RuF6 units. Together, they form slabs that are interconnected by van der Waals forces. In the reactions between M(RuF6)2 (M = Cu, Ni) and 2XeF2 (1:2 molar ratio), [Cu(XeF2)2](RuF6)2 and [Ni(XeF2)2](RuF6)2 are formed. They both crystallize in the monoclinic space group P21/c. The metal center is coordinated by six F atoms. Two F atoms are provided by two nonbridging XeF2 molecules, while the remaining four originate from four bridging [RuF6]- anions. In the reactions between M(RuF6)2 (M = Cu, Ni) and an excess of XeF2, [Cu(XeF2)6](RuF6)2 and [Ni(XeF2)6](RuF6)2 are formed. They are not isostructural, as the first crystallizes in the triclinic space group Pmathematical equation, while the second crystallizes in the trigonal space group Rmathematical equation. In both cases, homoleptic cations [M(XeF2)6]2+ are present, with the metal center coordinated by six nonbridging XeF2 molecules, while the [RuF6]- anions are discrete.
Keywords: coordination chemistry, X-ray diffraction, xenon difluoride
Published in DiRROS: 26.08.2025; Views: 352; Downloads: 177
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1338. Architecture-based governance for secure-by-design Cooperative Intelligent Transport SystemsTanja Pavleska, Massimiliano Masi, Giovanni Paolo Sellitto, Helder Aranha, 2025, original scientific article Abstract: Cooperative Intelligent Transport Systems (C-ITS) involve a complex network of diverse components that communicate with each other and with their environment. These systems are essential for improving transport efficiency, enabling smoother movement of people and goods, and supporting economic growth. However, due to their highly connected nature, C-ITS face major challenges related to cybersecurity and interoperability—both of which are directly linked to safety. Managing evolving software and standards while ensuring security places a heavy burden on architects, security experts, and organizational stakeholders. In this work, we propose a methodology to support the secure design and deployment of C-ITS systems. The approach is based on established standards and adaptable to other critical sectors, such as healthcare, energy and smart cities, but is here tailored to the specific context of the transport domain. Our main contribution is a governance-based framework for secure deployment of standards, aimed at addressing the problem of standards maintenance, interoperability, and architectural sustainability. We demonstrate its application through a real-world use case involving secure vehicle-to-infrastructure (V2I) communication.
Keywords: intelligent transport systems, interoperability, governance, security by design, Cooperative Intelligent Transport Systems, standard lock-in
Published in DiRROS: 25.08.2025; Views: 330; Downloads: 163
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1340. The importance of chemical transformations of adsorbed molecules for corrosion inhibition : mercaptobenzimidazoles on copperAnton Kokalj, Erik Gregori, Barbara Kapun, Ingrid Milošev, 2025, original scientific article Abstract: This study investigates whether mercaptobenzimidazoles act as thiolates in inhibiting copper corrosion. To this end, we examined three mercaptobenzimidazole derivatives — 2-mercaptobenzimidazole (SH-BimH), 2-mercapto-1-methylbenzimidazole (SH-BimMe), and 2-(methylthio)benzimidazole (Me-S-BimH) — as corrosion inhibitors for copper in 3 wt% NaCl solution using a combined experimental and computational approach. Me-S-BimH has a thiol group (single bondSH) replaced by a methylthio group (single bondSCH ), which should prevent the formation of surface thiolates. In contrast, SH-BimMe has the same molecular formula as Me-S-BimH, but its methyl group does not cap the thiol group. Corrosion experiments reveal that after 1 h of immersion, Me-S-BimH is considerably less effective than SH-BimH and SH-BimMe at inhibiting copper corrosion. However, after 100 h of immersion, Me-S-BimH performs comparably to SH-BimH and SH-BimMe. This delayed effectiveness suggests that a molecular transformation activates Me-S-BimH over time. To explore this phenomenon, we performed a detailed DFT study of potential chemical transformations of adsorbed Me-S-BimH. Most transformations are exothermic, but only molecular deprotonation and Csingle bondS bond cleavage between the azole ring and the methylthio group exhibit sufficiently low activation barriers to occur at room temperature. Similar deprotonation and Csingle bondS bond cleavage reactions occur also for SH-BimH and SH-BimMe, leading to more strongly bound species than their intact molecular forms. Due to these transformations, Me-S-BimH and SH-BimH eventually result in the same strongly bound species, while SH-BimMe forms an analogous species. These findings may explain why, over time, all three compounds exhibit similar corrosion inhibition characteristics, and highlight the importance of chemical transformations of adsorbed molecules in corrosion inhibition.
Keywords: copper, corrosion inhibition, electrochemical measurements
Published in DiRROS: 25.08.2025; Views: 351; Downloads: 188
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